Ligand Id: 3538
Ligand name YIL781

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 32.78
Molecular weight 409.22
XLogP 5.36
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
Synonyms
6-(4-fluorophenoxy)-3-([(3s)-1-isopropylpiperidin-3-yl]methyl)-2-methylquinazolin-4(3H)-one
YIL 781
Database Links
CAS Registry No. 875258-85-8 (source: Scifinder)
Search on ChemSpider FRKXOBMDEXCHHD-SFHVURJKSA-N
ZINC ZINC28711981

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org